[2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-methyl-2-oxidanyl-propyl)amino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-methyl-2-oxidanyl-propyl)amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-hydroxy-2-methyl-propyl)amino]benzenesulfonate CAS Name: 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonate Traditional Name: 4-[(2-hydroxy-2-methyl-propyl)amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4)O

Isomeric SMILES

CC(C)(CNC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4CC4)O

InChI

InChI=1S/C21H23N3O5S2/c1-21(2,26)12-22-14-5-8-16(9-6-14)31(27,28)29-15-7-10-17-18(11-15)30-20(23-17)24-19(25)13-3-4-13/h5-11,13,22,26H,3-4,12H2,1-2H3,(H,23,24,25)